Chemical Properties of 1,3-Pentanediol, 2-methyl- (CAS 149-31-5)

InChI

InChI=1S/C6H14O2/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3

InChI Key

SPXWGAHNKXLXAP-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CCC(O)C(C)CO

Molecular Weight¹

118.17

CAS

149-31-5

Other Names

• 2-Methyl-1,3-pentanediol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[255.68; 303.74]	J/mol×K	[520.16; 683.21]
Cp,gas	255.68	J/mol×K	520.16	Joback Calculated Property
Cp,gas	264.55	J/mol×K	547.34	Joback Calculated Property
Cp,gas	273.06	J/mol×K	574.51	Joback Calculated Property
Cp,gas	281.23	J/mol×K	601.69	Joback Calculated Property
Cp,gas	289.05	J/mol×K	628.86	Joback Calculated Property
Cp,gas	296.56	J/mol×K	656.04	Joback Calculated Property
Cp,gas	303.74	J/mol×K	683.21	Joback Calculated Property
η	[0.0000701; 0.6867154]	Pa×s	[249.02; 520.16]
η	0.6867154	Pa×s	249.02	Joback Calculated Property
η	0.0457867	Pa×s	294.21	Joback Calculated Property
η	0.0062787	Pa×s	339.40	Joback Calculated Property
η	0.0013734	Pa×s	384.59	Joback Calculated Property
η	0.0004135	Pa×s	429.78	Joback Calculated Property
η	0.0001565	Pa×s	474.97	Joback Calculated Property
η	0.0000701	Pa×s	520.16	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[381.76; 521.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62382e+01
Coefficient B			-4.83991e+03
Coefficient C			-7.83290e+01
Temperature range, min.			381.76
Temperature range, max.			521.27
Pvap	1.33	kPa	381.76	Calculated Property
Pvap	2.89	kPa	397.26	Calculated Property
Pvap	5.85	kPa	412.76	Calculated Property
Pvap	11.10	kPa	428.26	Calculated Property
Pvap	19.96	kPa	443.76	Calculated Property
Pvap	34.22	kPa	459.27	Calculated Property
Pvap	56.24	kPa	474.77	Calculated Property
Pvap	89.04	kPa	490.27	Calculated Property
Pvap	136.34	kPa	505.77	Calculated Property
Pvap	202.64	kPa	521.27	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Pentanediol, 2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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